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IR and Raman spectra vibrational analysis of crystalline and fluidic oxalyl bromide, explaining observations by two geometrical isomers existence
Raman spectra of lead titanate, sodium tantalate /potassium tantalate and potassium tantalate/ potassium niobate solid solutions at various temperatures
The Raman spectra of gaseous CH3CH2NH2 and CH3CH2ND2 have been recorded at wavenumbers from 100 to 600. Both ground and excited states of the methyl and amino torsional modes for the gauche conformer have been observed. The overtone of the methyl torsion has also been observed for the gauche conformer. The methyl barriers in the gauche conformers of the CH3CH2NH2 and CH3CH2ND2 molecules were found to be 3.71 + or - 0.05 and 3.59 + or - 0.05 kcal/mole, respectively. The apparent difference in the barrier heights for these two isotopic species is attributed to a difference in the coupling between the methyl and amino torsions in these two molecules. The potential function for internal rotation around the C-N bond in CH3CH2ND2 was determined. The energy difference between the potential energy minima of the gauche and trans conformations is 0.592 kcal/mole with the trans being the more stable.
The Raman spectra of N-14O2 and N-15O2 have been studied at 20 K. The far infrared of N-14O2 at 20 K was also measured. The data were assigned on the basis of a C-sub 2 nu molecular model. Normal coordinate calculations were performed for a variety of assignments. The assignment that yielded the best fit is presented. The solid state effects are discussed.
We have examined effects of grain size and grain orientation on the Raman spectra of quartz and olivine to evaluate the effect of these parameters on in situ and remote analysis of planetary surface rocks.
The Raman shift spectra of seven interplanetary dust particles, U2034(F10), U2034(F8), U2022(B1), W7074 18, W7074 C15, W7074 C3 and W7074 A7, were measured with a Spex-1403 Raman spectrograph. The exciting radiations were the 488 nm and 514 nm line of a 5W argon ion laser. All seven spectra exhibit the 1350 and 1600 Delta/cm arbon bands, implying that the Interplanetary dust particles were coated with hydrocarbon and incompletely crystallized carbon, the part of which may be the residue of hydrocarbon contents in the particles after water loss by the heating during their entry into the earth's atmosphere. A weak band structure in the 520-610/cm range could be caused by cyclosilicates, and a weak band at 2900/cm is tentatively identified as due to hydrocarbon molecules.
Raman spectra of lead titanium trioxide and solid solutions of sodium tantalum trioxide-potassium tantalum trioxide and potassium niobium trioxide
Lead metal was vaporized and trapped in solid xenon at 12K. Electronic absorption and resonance Raman spectra were recorded of the resulting matrix, which was shown to contain Pb2, Pb3, and possibly Pb4 molecular species. The vibrational frequency for Pb2 is determined to be 108/cm for the ground state, with a dissociation energy of 82000/cm. Ad3h symmetry is indicated for the Pb3 species, with nu sub 1=117/cm and nu sub 2 = 96 /cm. The existence of Pb4 is suggested by a fundamental and overtone of 111/cm spacing.
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Raman and IR spectra of unsymmetrical dimethylhydrazine and unsymmetrical dimethylhydrazine-d2 recorded in liquid and gaseous states
The Scanning Habitable Environments with Raman & Luminescence for Organics & Chemicals (SHERLOC) instrument suite includes a deep ultraviolet (DUV) Raman and fluorescence instrument on the robotic arm of the Mars2020 (M2020) Perseverance rover [1]. When sufficiently thick dust coatings are present, substrate surfaces are not detected, and mineralogical information not obtained. For example, the effect of palagonitic dust coatings as a function of depth to various substrates on thermal emission, VNIR, and Mössbauer spectra are reported by [2, 3]. In this study, we use the same palagonitic dust to study the effect of dust coating thickness on DUV Raman spectra.
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Harmonic and anharmonic vibrational frequencies, as well as infrared and Raman intensities, are calculated for MgSO4.nH20 (n=1-3). Electronic structure theory at the second order Moller-Plesset perturbation theory (MP2) level with a triple-zeta + polarization (TZP) basis set is used to determine the geometry, properties, and vibrational spectra of pure and hydrated MgSO4 salts. The direct vibrational self-consistent field (VSCF) method and its correlation corrected (CC-VSCF) extension are used to determine anharmonic corrections to vibrational frequencies and intensities for the pure MgSO4 and its complex with one water molecule. Very significant differences are found between vibrational of water molecules in complexes with MgSO4 and pure water. Some of the O-H stretching frequencies are shifted to the red very significantly (by up to 1500-2000/cm) upon complexation with magnesium sulfate. They should be observed between 1700 and 3000/cm in a region very different from the corresponding O-H stretch frequency region of pure water (3700-3800/cm). In addition, the SO2 stretching vibrations are found at lower frequency regions than the water vibrations. They can serve as unique identifiers for the presence of sulfate salts. The predicted infrared and Raman spectra should be of valuable help in the design of future missions and analysis of observed data from the ice surface of Jupiter's moon Europa that possibly contains hydrated MgSO4 salts.
The Raman spectrum of gaseous N2F4 at a pressure of 760 Torr was recorded with a spectral slit width of 3 kaysers. Ten of the expected eleven fundamentals of the symmetric motions of both the gauche and trans isomers give rise to strongly polarized Raman lines. These new data require a reassignment of some of the fundamentals for both the C2 and C2h conformers. The Raman of the solid at 18 K was also recorded. Both conformers were found in the solid even after annealing the sample for 9 hr at a temperature of 101.6 K and 3 hr at a temperature of 106.8 K. Bands attributable to the gauche isomer became more intense relative to those for the trans isomer after several hours of annealing.
Engineering design computer program that calculates rotational Raman spectrum of either nitrogen or oxygen can be used to increase performance of gas-turbine engines by predicting extent of pressure broadening associated with temperature measurements at elevated pressure.
The influence of the optical Stark effect on spectral line shapes in four-wave-mixing Raman spectroscopy (FWMRS) and stimulated Raman spectroscopy (SRS) is investigated experimentally and theoretically. Using an experimental setup capable of rapid alternation between the simultaneous measurement of coherent Stokes Raman spectroscopy and inverse Raman spectroscopy at low and high intensities, together with a sophisticated frequency reference scheme, it was possible to perform a rather direct comparison between Stark-broadened and non-Stark-broadened spectra of both classes of Raman spectroscopies. The results demonstrate that SRS spectra show more Stark shift and broadening than their FWMRS counterparts. A discrepancy with theoretical results is pointed out, and an attempt is made to explain it.